trimethyl-[(E,3S)-7-(oxan-2-yloxy)hept-4-en-3-yl]silane

C15H30O2Si — CID 101422226

IUPACtrimethyl-[(E,3S)-7-(oxan-2-yloxy)hept-4-en-3-yl]silane
SMILESCC[C@@H](/C=C/CCOC1CCCCO1)[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-5-14(18(2,3)4)10-6-8-12-16-15-11-7-9-13-17-15/h6,10,14-15H,5,7-9,11-13H2,1-4H3/b10-6+/t14-,15?/m0/s1
InChIKeyMYCCCMYBNYQIJM-FBFSHCGYSA-N
MW270.49 g/mol
LogP4.59
Rot. Bonds7

About trimethyl-[(E,3S)-7-(oxan-2-yloxy)hept-4-en-3-yl]silane

trimethyl-[(E,3S)-7-(oxan-2-yloxy)hept-4-en-3-yl]silane (PubChem CID 101422226) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is trimethyl-[(E,3S)-7-(oxan-2-yloxy)hept-4-en-3-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(E,3S)-7-(oxan-2-yloxy)hept-4-en-3-yl]silane
PubChem CID101422226
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Nametrimethyl-[(E,3S)-7-(oxan-2-yloxy)hept-4-en-3-yl]silane
SMILESCC[C@@H](/C=C/CCOC1CCCCO1)[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-5-14(18(2,3)4)10-6-8-12-16-15-11-7-9-13-17-15/h6,10,14-15H,5,7-9,11-13H2,1-4H3/b10-6+/t14-,15?/m0/s1
InChIKeyMYCCCMYBNYQIJM-FBFSHCGYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2H-Pyran, 2-(3-hexen-1-yloxy)tetrahydro-
CID 3021738
trimethyl-[(Z)-6-(oxan-2-yloxy)hex-2-enyl]silane
CID 15103855
[(Z)-6,6-dimethyl-8-(oxan-2-yloxy)oct-3-enyl]-trimethylsilane
CID 134983007
(4Z)-1-(tetrahydropyran-2-yloxy)-4-decene
CID 67591886
trimethyl-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-2-en-2-yl]silane
CID 5386732
(4Z,7Z)-1-(tetrahydropyran-2-yloxy)-4,7-decadiene
CID 10966579
2-[(3E,8Z,11Z)-tetradeca-3,8,11-trienoxy]oxane
CID 11808486
2-[(E)-non-4-enoxy]oxane
CID 15674282
2-(Dec-5-enyloxy)tetrahydropyran
CID 129820263
But-3-enoxy-dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]silane
CID 134885227
Dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-pent-4-enoxysilane
CID 134885323
trimethyl-[(2E)-4-(oxan-2-yloxymethyl)penta-2,4-dienyl]silane
CID 134991453

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E,3S)-7-(oxan-2-yloxy)hept-4-en-3-yl]silane?
The IUPAC name of trimethyl-[(E,3S)-7-(oxan-2-yloxy)hept-4-en-3-yl]silane (CID 101422226) is trimethyl-[(E,3S)-7-(oxan-2-yloxy)hept-4-en-3-yl]silane.
What is the SMILES notation for trimethyl-[(E,3S)-7-(oxan-2-yloxy)hept-4-en-3-yl]silane?
The canonical SMILES for trimethyl-[(E,3S)-7-(oxan-2-yloxy)hept-4-en-3-yl]silane is CC[C@@H](/C=C/CCOC1CCCCO1)[Si](C)(C)C.
What is the InChIKey of trimethyl-[(E,3S)-7-(oxan-2-yloxy)hept-4-en-3-yl]silane?
The InChIKey is MYCCCMYBNYQIJM-FBFSHCGYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-5-14(18(2,3)4)10-6-8-12-16-15-11-7-9-13-17-15/h6,10,14-15H,5,7-9,11-13H2,1-4H3/b10-6+/t14-,15?/m0/s1.
What are the key properties of trimethyl-[(E,3S)-7-(oxan-2-yloxy)hept-4-en-3-yl]silane?
trimethyl-[(E,3S)-7-(oxan-2-yloxy)hept-4-en-3-yl]silane has a molecular weight of 270.49 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E,3S)-7-(oxan-2-yloxy)hept-4-en-3-yl]silane is sourced from PubChem (CID 101422226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).